4-[4-[(4-chlorophenyl)methylamino]-1-oxidanyl-2-(2-phenylsulfanylethyl)pyrrolidin-2-yl]-4-oxidanylidene-butanal

Systemtic Name: 4-[4-[(4-chlorophenyl)methylamino]-1-oxidanyl-2-(2-phenylsulfanylethyl)pyrrolidin-2-yl]-4-oxidanylidene-butanal Openeye Name: 4-[4-[(4-chlorophenyl)methylamino]-1-hydroxy-2-(2-phenylsulfanylethyl)pyrrolidin-2-yl]-4-oxo-butanal CAS Name: 4-[4-[(4-chlorophenyl)methylamino]-1-hydroxy-2-[2-(phenylthio)ethyl]-2-pyrrolidinyl]-4-oxobutanal IUPAC Name: 4-[4-[(4-chlorophenyl)methylamino]-1-hydroxy-2-(2-phenylsulfanylethyl)pyrrolidin-2-yl]-4-oxobutanal Traditional Name: 4-[4-[(4-chlorobenzyl)amino]-1-hydroxy-2-[2-(phenylthio)ethyl]pyrrolidin-2-yl]-4-keto-butyraldehyde Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1(CCSC2=CC=CC=C2)C(=O)CCC=O)O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C(CN(C1(CCSC2=CC=CC=C2)C(=O)CCC=O)O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN2O3S/c24-19-10-8-18(9-11-19)16-25-20-15-23(26(29)17-20,22(28)7-4-13-27)12-14-30-21-5-2-1-3-6-21/h1-3,5-6,8-11,13,20,25,29H,4,7,12,14-17H2